N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide

C9H18N2O3S — CID 55219622

IUPACN-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C9H18N2O3S/c1-3-11(7-5-6-10)15(12,13)9-8-14-4-2/h3-5,7-9H2,1-2H3
InChIKeyPSMHFFZJAVVBSV-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.59
Rot. Bonds8

About N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide

N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide (PubChem CID 55219622) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
PubChem CID55219622
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C9H18N2O3S/c1-3-11(7-5-6-10)15(12,13)9-8-14-4-2/h3-5,7-9H2,1-2H3
InChIKeyPSMHFFZJAVVBSV-UHFFFAOYSA-N
XLogP0.59
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-1-(oxolan-3-yl)methanesulfonamide
CID 56789899
1-cyano-N,N-dipropylethanesulfonamide
CID 65570656
N,N-dibutyl-2-methoxyethanesulfonamide
CID 89281487
N-butyl-2-methoxy-N-propylethanesulfonamide
CID 89281662
N-ethyl-2-methoxy-N-propylethanesulfonamide
CID 123769076
N,N-bis(2-cyanoethyl)butane-2-sulfonamide
CID 124094908
N,N-bis(2-cyanoethyl)butane-1-sulfonamide
CID 159091240
3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate
CID 1798174
4-(2-Cyanoethoxy)but-2-ynyl-dimethyl-(3-sulfopropyl)azanium
CID 1798175
N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide
CID 39240768
N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide
CID 39243884
Ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate
CID 54992427

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide (CID 55219622) is N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide is CCOCCS(=O)(=O)N(CC)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide?
The InChIKey is PSMHFFZJAVVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-11(7-5-6-10)15(12,13)9-8-14-4-2/h3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide?
N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of 0.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide is sourced from PubChem (CID 55219622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).